gongshuai0606
gongshuai0606
get_fa_scorefxn()这个函数在后面版本废除了吗？导入后显示找不到
Hi, Which version of pytorch did you use for the training?
In line 262 0f dataset.py, why not use the "exp_range_n_x" of line 261 for bin_x? if binary_code_bits: exp_range_n_y = np.expand_dims(range_n_y, 1) bin_y = np.concatenate([exp_range_n_y // (1
Isn't the gradient (1.5 * r - 2.0) * rvec / rnorm in line 84 of vampnet/vampnet /data_generator.py supposed to be the (1.5 * r**2 - 2.0*r) * rvec /...
Hi, Which version of tensorflow did you use for the training?
Hi, there is an error "TypeError: 'float' object is not iterable" in line 50 `bias =','.join(map(str,lp.bias[i].data.tolist()))` of vde_metadynamics/vde_metadynamics/render_network.py when I run the ala_res.ipynb of vde_metadynamics/examples/alanine. When I print out the...