Update environment file

[RaulPPelaez]

The env file is a little behind, this PR tries to relax the pins in environment.yml.

[RaulPPelaez]

Using forward instead of call here:

torchmd-net/torchmdnet/module.py

Lines 19 to 32 in e224dc5

	class FloatCastDatasetWrapper(T.BaseTransform):
	"""A transform that casts all floating point tensors to a given dtype.
	tensors to a given dtype.
	"""
	def __init__(self, dtype=torch.float64):
	super(FloatCastDatasetWrapper, self).__init__()
	self._dtype = dtype
	def forward(self, data):
	for key, value in data:
	if torch.is_tensor(value) and torch.is_floating_point(value):
	setattr(data, key, value.to(self._dtype))
	return data

makes tmdnet incompatible with pytorch_geometric versions older than 2.5. Its a simple change to get both versions to work, so I changed it.

This is BaseTrasnform in 2.5:
https://pytorch-geometric.readthedocs.io/en/latest/_modules/torch_geometric/transforms/base_transform.html#BaseTransform
This is in 2.3:
https://pytorch-geometric.readthedocs.io/en/2.3.0/_modules/torch_geometric/transforms/base_transform.html

[RaulPPelaez]

cc @stefdoerr could you please review?